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6-bromo-N-ethylpyridine-3-carboxamide

6-bromo-N-ethylpyridine-3-carboxamide

CAS: 951885-70-4

Formula: C8H9BrN2O

SMILES: CCNC(=O)C1=CC=C(Br)N=C1

IUPAC: 6-bromo-N-ethylpyridine-3-carboxamide

InChI: InChI=1S/C8H9BrN2O/c1-2-10-8(12)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H,10,12)

Composition: C (41.95%), H (3.96%), Br (34.88%), N (12.23%), O (6.98%)

Molar Mass: 229.077

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.989826
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YZKAGMRJEOWXIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.09
Topological Polar Surface Area 41.99
Polarizability 18.9
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 951885-70-4 $1,700.00-$2,970.00$1,700.00$2,970.00
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